Accuracy

zn(ii)s2cl2 (clstuz)   3771 Zn(II)S2Cl2 (CLSTUZ)

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    #  Species Formula
  3761 Zinc dichloride (Geo)Cl2Zn
  3762 Zn(II)N2Cl2 (ZNACET) (Geo)C4H6N2Cl2Zn
  3763 Zn(II)N2Cl2 (ZNACET)C4H6N2Cl2Zn
  3764 Zn(II)N2Cl2 (CAHGEX) (Geo)C5H14N2Cl2Zn
  3765 Zn(II)N2Cl2 (CAHGEX)C5H14N2Cl2Zn
  3766 Zn(II)O2Cl2 (DUCNEU) (Geo)H4O2Cl2Zn
  3767 Zn(II)O2Cl2 (DUCNEU)H4O2Cl2Zn
  3768 Zn(II)SNCl2 (CATSZN) (Geo)C4H9N3SCl2Zn
  3769 Zn(II)SNCl2 (CATSZN)C4H9N3SCl2Zn
  3770 Zn(II)S2Cl2 (CLSTUZ) (Geo)C2H8N4S2Cl2Zn
  3771 Zn(II)S2Cl2 (CLSTUZ) C2H8N4S2Cl2Zn
  3772 Zn(II)Cl4(2-) (ABDZNC20) (Geo)Cl4Zn
  3773 Zn(II)Cl4(2-) (ABDZNC20)Cl4Zn
  3774 Zn2[S2C-NMe2]4C12H24N4S8Zn2
  3775 Zn2[S2C-NMe2]4 (Geo)C12H24N4S8Zn2
  3776 Gallium, tricationGa
  3777 Gallium, dicationGa
  3778 Gallium, cationGa
  3779 Gallium, atomGa
  3780 Gallium, anionGa
  3781 Gallium hydride (Geo)HGa


ΔHf: -90.7 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 PM7
Zn(II)S2Cl2 (CLSTUZ)
 H=-90.7 HR=PW91D
 Zn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.27333489 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.27448805 +1  100.2929573 +1    0.0000000 +0     1     2     0
  S     2.29711139 +1  100.5081599 +1 -104.1028766 +1     1     2     3
  C     1.77262832 +1   90.0377998 +1   46.9808496 +1     4     1     2
  N     1.35474628 +1  120.5522374 +1   89.7868323 +1     5     4     1
  N     1.35857138 +1  120.0254083 +1  172.4951459 +1     5     4     6
  S     2.29749767 +1  101.8890163 +1 -152.8805721 +1     1     2     4
  C     1.77266967 +1   90.0429060 +1  -58.7016886 +1     8     1     2
  N     1.35918252 +1  119.9531691 +1  -99.8160257 +1     9     8     1
  N     1.35408530 +1  120.6179057 +1 -172.5570954 +1     9     8    10
  H     1.02023271 +1  119.7115289 +1  -12.7307734 +1     6     5     4
  H     1.00604552 +1  121.6794985 +1  166.1144611 +1     7     5     4
  H     1.01772860 +1  119.1188655 +1 -151.9063241 +1     7     5    13
  H     1.00515417 +1  122.1667922 +1 -155.7710260 +1     6     5    12
  H     1.00614865 +1  121.5986187 +1  165.9540265 +1    10     9     8
  H     1.01666343 +1  119.0867852 +1 -151.7047404 +1    10     9    16
  H     1.00501536 +1  122.2342038 +1 -168.8689097 +1    11     9     8
  H     1.02136802 +1  119.7786145 +1  156.4446362 +1    11     9    18